2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol

C17H16O2S — CID 11022432

IUPAC2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol
SMILESCCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O
InChIInChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3
InChIKeyDAYMYZZIEYQKPM-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol

2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol (PubChem CID 11022432) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol
PubChem CID11022432
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol
SMILESCCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O
InChIInChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3
InChIKeyDAYMYZZIEYQKPM-UHFFFAOYSA-N
XLogP4.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol
CID 445920
4-[5-(4-Hydroxyphenyl)thiophen-2-yl]phenol
CID 14905189
Benzo(b)thiophen-4-ol
CID 19217
Benzo(b)thiophene-6-ol
CID 88004
2-(4-Methylphenyl)-1-benzothiophen-6-ol
CID 10933614
2-Phenyl-1-benzothiophen-6-ol
CID 11117751
3-[5-(4-Hydroxyphenyl)-2-thienyl]phenol
CID 25093386
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol
CID 25192475
3-[5-(4-Hydroxyphenyl)-2-thienyl]-5-methylphenol
CID 25192619
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol
CID 25192621
2-(3-Ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 10901682
2-(4-Hydroxy-3-methylphenyl)-1-benzothiophen-6-ol
CID 10956181

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol (CID 11022432) is 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol is CCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol?
The InChIKey is DAYMYZZIEYQKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3.
What are the key properties of 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol?
2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol has a molecular weight of 284.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 11022432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).